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Add new plotPrecursorIons function and address issue #742 #743
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- Add a new function `plotPrecursorIons()` function to provide a simple visualization of precursor m/z and retention times in the m/z - retention time area of the MS1 data of a file.
- Support exclusion of samples/groups from the definition of new features with the *PeakDensity* method by using a value of `NA` for them with the `sampleGroups` parameter (issue #742).
@sneumann , I leave it up to you whether we want this small updates to be included in the upcoming release version or not... |
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All good to me ! really nice additions
Sorry @jorainer I just tested locally and realized something is wrong. Can you also update the functions-Params.R document (line 239) to allow for NAs in sampleGroups ? |
good catch @philouail ! I've changed it now. |
Changed to draft because there seem to be some problems... |
OK, now we have also a fix for a bug that Phili spotted when testing the code (although the bug was not related to the present code). |
@sneumann , can you please have a look at this PR and eventually merge if you're OK? |
Looks good, thanks! |
There shouldn't be any issue - no other function/method uses this parameter - and the |
In this PR:
plotPrecursorIons
to visualize location of precursor ions in m/z - retention time plane.Unit tests and documentation included.